sodium 4-(5-oxidanylidene-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonate

Systemtic Name: sodium 4-(5-oxidanylidene-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: sodium 4-(5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonate CAS Name: sodium 4-(5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: sodium 4-(5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: sodium 4-(5-keto-3-pentadecyl-2-pyrazolin-1-yl)besylate Formula: C24H37N2NaO4S MolecularWeight: 472.61635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H38N2O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20-24(27)26(25-21)22-16-18-23(19-17-22)31(28,29)30;/h16-19H,2-15,20H2,1H3,(H,28,29,30);/q;+1/p-1